LMPK12111772 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 7.6127 11.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6127 10.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3735 10.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3735 11.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 11.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2538 9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1341 10.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1341 11.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2538 11.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2538 9.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0142 11.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9115 11.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8088 11.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8088 12.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9115 13.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0142 12.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1999 9.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 8.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6676 13.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6805 15.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6822 15.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6662 13.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1628 12.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6388 11.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6661 13.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1725 14.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1758 14.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6677 13.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1613 12.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6533 11.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7836 10.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5977 10.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7695 8.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1386 8.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2662 6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0498 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8693 9.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7782 9.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8638 8.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0442 7.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1299 6.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4076 4.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4122 4.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2805 6.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7002 7.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2710 6.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8416 5.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8415 5.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2757 6.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7050 7.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1391 7.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 27 21 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 52 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 6 0 0 48 37 1 1 0 0 49 44 1 6 0 0 50 45 1 6 0 0 51 46 1 1 0 0 38 19 1 1 0 0 M END > LMPK12111772 > Kaempferol 3-rutinoside-4'-glucoside > > C33H40O20 > 756.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > FYJOVKRHRUYSLY-QDSFYBSMSA-N > InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 > C1(O)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 45359993 > - > - > - > - > - > 33090 > - $$$$